| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 22nd, 2008 | 23 | No |
Popular Name: (5S)-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-thiol (5S)-5-(4-methylpiperazin-1-yl)-…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.93 | 11.26 | -64.47 | 1 | 2 | 0 | 8 | 342.533 | 1 | ↓ |
| Mid Mid (pH 6-8) | 3.93 | 10.8 | -40.76 | 1 | 2 | 1 | 8 | 343.541 | 1 | ↓ |
| Mid Mid (pH 6-8) | 3.93 | 8.8 | -47.43 | 0 | 2 | -1 | 6 | 341.525 | 1 | ↓ |
| Mid Mid (pH 6-8) | 3.93 | 10.39 | -45.81 | 1 | 2 | 0 | 8 | 342.533 | 1 | ↓ |
